2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile

Systemtic Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]benzenecarbonitrile Openeye Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile CAS Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile IUPAC Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Traditional Name: 2-[(4-chlorophenyl)-(1,2,4-triazol-1-yl)methyl]benzonitrile Formula: C16H11ClN4 MolecularWeight: 294.73834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C#N)C(C2=CC=C(C=C2)Cl)N3C=NC=N3

Isomeric SMILES

C1=CC=C(C(=C1)C#N)C(C2=CC=C(C=C2)Cl)N3C=NC=N3

InChI

InChI=1S/C16H11ClN4/c17-14-7-5-12(6-8-14)16(21-11-19-10-20-21)15-4-2-1-3-13(15)9-18/h1-8,10-11,16H